5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

C25H30N2O4 — CID 26340936

IUPAC5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(CC(C)C)CC3)ccc2o1
InChIInChI=1S/C25H30N2O4/c1-17(2)16-27-12-10-25(29,11-13-27)19-8-9-21-18(14-19)15-23(31-21)24(28)26-20-6-4-5-7-22(20)30-3/h4-9,14-15,17,29H,10-13,16H2,1-3H3,(H,26,28)
InChIKeyBFOXWCKCIMQZBA-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.63
Rot. Bonds6

About 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 26340936) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID26340936
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(CC(C)C)CC3)ccc2o1
InChIInChI=1S/C25H30N2O4/c1-17(2)16-27-12-10-25(29,11-13-27)19-8-9-21-18(14-19)15-23(31-21)24(28)26-20-6-4-5-7-22(20)30-3/h4-9,14-15,17,29H,10-13,16H2,1-3H3,(H,26,28)
InChIKeyBFOXWCKCIMQZBA-UHFFFAOYSA-N
XLogP4.63
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26350873
5-[1-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26341603
N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 25292202
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 30956846
3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-yl]methanone
CID 42542289
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405
5-[1-(2-ethylbutyl)-4-hydroxypiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 26339834
5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
[5-[4-hydroxy-1-(2-phenylpropyl)piperidin-4-yl]-1-benzofuran-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45185458
N-[2-(2-fluorophenyl)ethyl]-5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42318748
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide
CID 17010945

Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 26340936) is 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(CC(C)C)CC3)ccc2o1.
What is the InChIKey of 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BFOXWCKCIMQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17(2)16-27-12-10-25(29,11-13-27)19-8-9-21-18(14-19)15-23(31-21)24(28)26-20-6-4-5-7-22(20)30-3/h4-9,14-15,17,29H,10-13,16H2,1-3H3,(H,26,28).
What are the key properties of 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26340936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).